1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine

C14H24N2O — CID 116949690

IUPAC1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O/c1-10-5-6-14(17-4)12(7-10)13(16-3)8-11(2)9-15/h5-7,11,13,16H,8-9,15H2,1-4H3
InChIKeyTWLVPPDRGIEFJW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.25
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine

1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine (PubChem CID 116949690) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
PubChem CID116949690
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O/c1-10-5-6-14(17-4)12(7-10)13(16-3)8-11(2)9-15/h5-7,11,13,16H,8-9,15H2,1-4H3
InChIKeyTWLVPPDRGIEFJW-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63505367
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine (CID 116949690) is 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine is CNC(CC(C)CN)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine?
The InChIKey is TWLVPPDRGIEFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-5-6-14(17-4)12(7-10)13(16-3)8-11(2)9-15/h5-7,11,13,16H,8-9,15H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine?
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).